Table 1 Chromatographic and mass data of the components detected in Eleusine Coracana L UHPLC-QE orbitrap MS.

From: Rapid chemical characterization of finger millet using UHPLC-Q-Exactive orbitrap MS coupled with based via Feature-Based molecular networking and PRM

Peak

tR

Theoretical Mass m/z

Experimental Mass m/z

Error (ppm)

Formula(M)

MS/MS fragment

(-)

Identification

Peak area

References

1***

0.86

181.07176

181.07089

-4.81

C6H14O6

MS2[181]: 101.0231(63), 89.0230(63), 71.0124(47), 59.0124(44)

Mannitol

372,450,542

46

2***

0.87

341.10893

341.10867

0.83

C12H22O11

MS2[341]: 341.1097(3), 179.0551(9), 161.0443(5), 143.0341(6), 131.0336(6), 119.0337(32), 113.0231(29), 101.0231(36), 87.0230(100)

Sucrose

110,059,259

47

3***

0.88

195.05102

195.05019

1.33

C6H12O7

MS2[195]: 75.0074(83), 129.0181(62), 99.0074(20), 177.0396(16)

Gluconic acid

271,327,965

44

4**

0.89

177.04046

177.03951

0.82

C6H10O6

MS2[177]:177.0396(30), 129.0181(100), 89.0230(54),71.0124(48), 59.0125(59)

Gamma-lactone

99,858,597

HMDB、PubChem

5***

0.92

191.01972

191.01891

-4.27

C6H8O7

MS2[191]: 111.0074(100), 87.0074(27), 85.0281(25)

Isocitric acid

399,920,667

31

6***

0.93

133.01424

133.01306

-3.92

C4H6O5

MS2[133]: 115.0024(100), 71.0124(45)

Malic acid isomer

992,543,740

49

7***

0.93

188.05565

188.05644

1.60

C7H11NO5

MS2[188]: 188.0557(30), 144.0656(32), 128.0341(100), 102.0547((73)

N-Acetyl-DL-glutamic acid

11,254,267

49

8***

0.98

341.10893

341.10916

1.32

C12H22O11

MS2[341]: 179.0551(9), 101.0231(36), 89.0230(100), 71.0125(42)

Trehalose

23,469,129

32

9***

1.00

133.01424

133.01306

-3.92

C4H6O5

MS2[133]: 115.0024(100), 71.0124(46)

Malic acid isomer

577,592,889

49

10***

1.04

341.10893

341.10907

1.23

C12H22O11

MS2[341]: 179.0557(9), 101.0231(34), 89.0230(100), 71.0124(39)

Palatinose

20,033,143

49

11***

1.07

173.00916

173.00830

-4.97

C6H6O6

MS2[173]: 111.0074(100), 85.0281(18), 154.9974(18)

Trans-Aconitic acid

772,626,847

44

12*

1.10

191.01972

191.01886

-4.53

C6H8O7

MS2[191]: 111.0075(100), 87.0074(27), 85.0281(24), 129.8660(2)

Citric acid

2,964,418,135

Standard Comparison

13 *

1.18

173.00916

173.00833

-4.80

C6H6O6

MS2[173]: 111.0075(100), 85.0281(32), 154.9975(18)

Cis-Aconitic acid

387,354,928

Standard Comparison

14**

1.18

243.06200

243.06189

-1.51

C9H12N2O6

MS2[243]: 110.0234(100), 128.0341(53), 200.0553(18), 152.0293(17)

Uridine

36,041,038

OTCML

15 *

1.19

328.04524

328.04514

-0.31

C10H12N5O6P

MS2[328]: 134.0460(100)

Cyclic AMP

105,591,457

Standard Comparison

16***

1.20

188.05565

188.05644

1.60

C7H11NO5

MS2[188]: 188.0555(32), 144.0654(36), 128.0341(100), 102.0547(75)

N-Acetyl-DL-glutamic acid

36,384,827

49

17***

1.20

191.01972

191.01883

-4.69

C6H8O7

MS2[191]:

111.0075(100), 87.0074(33), 85.0281(3)

Citric acid isomer

1,216,981,952

49

18***

1.20

344.04015

344.03989

-0.77

C10H12O7N5P

MS2[344]:

150.0410(100)

cGMP

107,404,299

32

19***

1.29

282.08426

282.08459

0.70

C10H13N5O5

MS2[282]:

150.0410(100)

Guanosine hydrate

11,865,379

49

20***

1.52

129.01933

129.01825

-2.38

C5H6O4

MS2[129]:

85.0281(100)

Citraconic acid

235,560,632

49

21**

1.65

125.02441

125.02331

-4.85

C6H6O3

MS2[125]:

81.0332(5), 97.0282(4)

Pyrogallol

27,877,214

PubChem

22***

1.86

299.07724

299.07706

-0.60

C13H16O8

MS2[299]:

137.0232(100), 93.0232(34)

Salicylic acid-hexoside

5,715,730

49

23***

2.04

218.10339

218.10287

-1.34

C9H16O5N

MS2[218]:

88.0390(100), 146.0811(51)

D-pantothenic acid

35,812,914

31

24***

2.15

315.07215

315.07217

0.04

C13H16O9

MS2[315]:

153.0182(100), 109.0283(30)

Protocatechuic acid-O-hexoside

25,447,219

44

25***

2.17

167.03498

167.03427

-4.26

C8H8O4

MS2[167]:

123.0439(83)

Vanillic acid

396,778,311

32

26***

2.59

153.01933

153.01854

-4.17

C7H6O4

MS2[153]:

109.0282(100)

Protocatechuic acid

1,031,937,269

32

27**

3.53

137.02442

137.02351

-4.42

C7H6O3

MS2[137]:

108.0202(100)

Protocatechualdehyde

1,209,622,976

OTCML

28***

3.62

175.06119

175.06067

-3.00

C7H12O5

MS2[175]:

115.0388(100), 146.9601(57), 85.0645(37), 113.0595(36)

2-Isopropylmalic acid

36,934,050

32

29***

3.77

153.01933

153.01859

-4.84

C7H6O4

MS2[153]:

109.0282(31)

Gentisic acid

38,596,109

31

30***

3.77

167.03498

167.03421

-4.62

C8H8O4

MS2[167]:

123.0439(100)

Isovanillic acid

10,096,777

31

31***

4.02

451.12458

451.12436

-0.49

C21H24O11

MS2[435]:

289.0719(100), 245.0813(45), 203.0715(11), 279.0340(10), 137.0234(17), 125.0232(16)

Catechin-glucopyranoside

7,307,450

32

32***

4.05

341.08780

341.08734

-1.36

C15H18O9

MS2[341]:

179.0341(100), 135.0439(24)

Caffeic acid -hexoside

4,888,534

41

33***

4.35

577.13514

577.13556

0.71

C30H26O12

MS2[577]:

125.0232(100), 407.0767(32), 289.0717(75), 245.0816(26), 161.0233(28), 137.0232(20)

Procyanidin B1

27,349,033

38

34**

4.41

451.12458

451.12473

0.32

C21H24O11

MS2[435]:

289.0715(100), 245.0816(50), 162.8382(60), 160.8411(35), 61.9869(43)

Catechin-glucopyranoside

6,937,553

HMDB、PubChem

35***

4.55

577.13514

577.13574

1.02

C30H26O12

MS2[577]:

125.0232(100), 407.0765(27), 289.0719(62), 287.0561(26), 245.0818(23), 161.0235(22)

Procyanidin B2

20,018,534

38

36***

4.62

151.04006

151.03952

-3.62

C8H8O3

MS2[151]:

109.0155(100), 136.0153(15)

Isovanillin

102,914,745

31

37*

4.75

289.07176

289.07175

-0.03

C15H14O6

MS2[289]:

245.0816(100), 203.0707(71), 109.0283(69), 125.0232(63), 205.0500(49)

Catechin

3,688,083,122

Standard

Comparison

38**

5.04

121.02950

121.02833

-4.69

C7H6O2

MS2[121]:

108.0204(100)

4-Hydroxybenzaldehyde

13,894,671

HMDB、PubChem

39**

5.12

131.07136

131.07062

-4.70

C6H12O3

MS2[131]:

85.0645(100), 87.0438(15)

2-Hydroxyhexanoic acid

5,427,217

HMDB、PubChem

40**

5.19

355.10345

355.10339

-0.18

C16H20O9

MS2[355]:

193.0499(100), 149.0598(54), 134.0360(34), 178.0264(22)

Ferulic Acid-hexoside

2,495,575

HMDB、PubChem

41**

5.34

865.19853

865.19928

0.85

C45H38O18

MS2[865]:

125.0232(100), 289.0710(36), 243.0296(16), 407.0731(10)

Procyanidin C1

3,485,372

OTCML

42**

5.40

367.10345

367.10321

-0.66

C17H20O9

MS2[367]:

193.0499(100), 134.0360(24)

Tran-3-FQA

7,302,840

HMDB, PubChem

43***

5.92

151.04006

151.03951

-3.69

C8H8O3

MS2[151]:

136.0152(17)

Vanillin

27,610,767

31

44**

5.93

577.13514

577.13544

2.40

C30H26O12

MS2[577]:407.0773(29), 289.0717(71), 245.0819(23), 125.0232(100)

Procyanidin B1

11,561,274

HMDB、PubChem

45*

5.94

179.03498

179.03419

-4.42

C9H8O4

MS2[179]:

135.0440(55), 109.0282(15)

Caffeic acid

12,494,104

Standard Comparison

46***

6.20

355.10345

355.10361

0.43

C16H20O9

MS2[355]:

193.0499(100), 178.0263(24), 149.0598(22)

Ferulic Acid-hexoside

4,633,038

31

47**

6.22

367.10345

367.10345

-4.15

C17H20O9

MS2[367]:

193.0502(71), 134.0361(11)

Cis-3-FQA

4,535,706

HMDB、PubChem

48***

6.68

289.07176

289.07166

-0.35

C15H14O6

MS2[289]:

245.0817(100), 125.0232(66), 109.0283(64), 205.0498(49)

Epicatechin

794,692,391

34, 35

49**

6.96

179.03498

179.03436

-4.37

C9H8O4

MS2[179]:

109.0282(100)

5- Acetylsalicylic acid

126,076,659

HMDB

50***

7.11

289.07176

289.07156

-0.69

C15H14O6

MS2[289]:

245.0814(100), 203.0705(72), 125.0231(71), 109.0282(71), 205.0498(54)

Epicatechin

3,185,092,590

32

51**

7.22

211.06119

211.06068

-2.44

C10H12O5

MS2[211]:

125.0232(100)

Propyl gallate

6,080,100

OTCML

52***

7.86

787.19384

787.19489

1.32

C33H40O22

MS2[787]:

301.0347(100)

Quercetin-O-glucose-O-gentiobioside

6,922,160

38

53*

8.24

163.04006

163.03938

-4.21

C9H8O3

MS2[163]:

119.0490(100)

4-Coumaric acid

12,995,977

Standard Comparison

54**

8.63

367.10345

367.10324

-0.58

C17H20O9

MS2[367]:

173.0445(100), 193.0496(18)

4-FQA

9,291,124

OTCML

55***

8.66

173.08131

173.08102

-3.59

C8H14O4

MS2[173]:

111.0803(100), 129.0909(6)

Suberic acid

175,500,663

38

56***

9.03

163.04006

163.03935

-4.40

C9H8O3

MS2[163]:

119.0490(64)

3-Coumaric acid

11,531,681

38

57**

9.05

593.15119

593.15173

0.90

C27H30O15

MS2[593]:

353.0666(100), 383.0772(48), 473.1080(29)

Vicenin-2

25,031,192

OTCML

58**

9.24

367.10345

367.10342

-0.09

C17H20O9

MS2[367]:

191.0554(100), 193.0502(11), 173.0446(28)

Tran-5-FQA

2,784,087

OTCML

59**

9.27

325.09289

325.09305

0.49

C15H18O8

MS2[325]:

193.0498(100), 149.0597(19), 134.0362(18), 178.0263(6)

Ferulic Acid-arabinoside

21,742,090

OTCML

60**

9.38

595.16684

595.16791

1.79

C27H32O15

MS2[595]:

271.0612(100)

Naringenin-O-sophoroside

5,076,655

OTCML

61***

9.54

325.09289

325.09290

0.02

C15H18O8

MS2[325]:

193.0498(100), 134.0359(28), 149.0598(23)

Ferulic Acid-arabinoside

13,410,295

38

62**

10.11

367.10345

367.10269

-2.08

C17H20O9

MS2[367]:

191.0553(100), 193.0503(11)

Cis-5-FQA

2,077,749

OTCML

63**

10.37

575.11949

575.11963

0.22

C30H24O12

MS2[575]:

285.0404(100), 125.0232(96), 161.0236(21), 165.0184(37), 289.0717(56)

Procyanidin A2

12,338,202

HMDB、PubChem

64***

10.55

303.05102

303.05109

0.21

C15H12O7

MS2[303]:

125.0231(100), 285.0403(41), 175.0390(22), 217.0499(18)

Taxifolin

12,651,800

38

65***

10.71

787.19384

787.19482

1.23

C33H40O22

MS2[787]:

301.0352(100)

Quercetin-O-glucose-O-gentiobioside

5,562,299

31

66**

11.12

787.19384

787.19391

0.08

C33H40O22

MS2[787]:

300.0279(100), 301.0350(95)

Quercetin-O-glucose-O-gentiobioside

3,139,322

PubChem

67***

11.33

303.05102

303.05090

-0.41

C15H12O7

MS2[303]:

125.0231(100), 285.0409(40), 175.0392(32), 167.0338(30)

Taxifolin isomer

4,056,120

37

68**

12.12

431.09837

431.09787

-1.16

C21H20O10

MS2[431]:

311.0562(100), 283.0606(13)

Vitexin

6,980,319

PubChem

69***

12.18

609.14610

609.14667

0.92

C27H30O16

MS2[609]:

300.0274(100), 301.0323(12)

Quercetin 3-(2-glucosylrhamnoside)

106,134,096

37

70 ***

12.24

575.11949

575.11957

0.12

C30H24O12

MS2[575]:

285.0405(100), 125.0232(80), 289.0717(49), 161.0235(22)

Procyanidin A2

38,716,993

38

71***

12.49

741.18837

741.19067

3.10

C32H38O20

MS2[741]:

300.0270(100), 301.0337(74)

Quercetin-3-O-rutinoside-7-O-pentoside

1,619,600

40

72*

12.70

463.08710

463.08838

0.39

C21H20O12

MS2[463]:

301.0352(100), 300.0276(13), 151.0026(12)

Hyperoside

26,938,986

Standard

Comparison

73***

12.70

787.19384

787.19513

1.63

C33H40O22

MS2[787]:

301.0356(100)

Quercetin-O-glucose-O-gentiobioside

1,647,933

33

74**

12.79

625.14102

625.14160

2.67

C27H30O17

MS2[625]:301.0352(100), 300.0274(2)

Quercetin-3,4’-O- diglucoside

15,174,453

OTCML

75**

12.88

787.19384

787.19421

0.46

C33H40O22

MS2[787]:301.0352(100), 300.0271(63)

Quercetin-O-glucose-O-gentiobioside

3,746,868

PubChem

76***

12.95

431.09837

431.09845

0.18

C21H20O10

MS2[431]:311.0562(100), 283.0615(12), 341.0665(43)

Isovitexin

14,836,947

32, 33

77*

12.95

609.14610

609.14642

0.51

C27H30O16

MS2[609]:

300.0273(100), 301.0352(56), 289.0719(27), 271.0250(1)

Rutin

5,218,993

Standard

Comparison

78**

12.99

625.14102

625.14117

1.99

C27H30O17

MS2[625]:301.0350(67), 300.0274(100)

Quercetin-3,4’-O-diglucoside

30,417,835

OTCML

79**

13.09

463.08710

463.08847

0.58

C21H20O12

MS2[463]:

300.0275(100), 301.0348(66)

Isoquercitrin

36,195,588

OTCML

80*

13.16

187.09758

187.09669

-4.76

C9H16O4

MS2[187]:

125.0959(100)

Azelaic acid

712,819,058

Standard Comparison

81**

13.22

433.11292

433.11475

1.68

C21H22O10

MS2[433]:

289.0711(100), 253.0708(60), 125.0232(49), 271.0607(34)

Naringenin-O-hexoside

3,066,754

PubChem

82***

13.32

623.16175

623.16211

0.56

C28H32O16

MS2[623]:

314.0432(100), 315.0494(18), 299.0194(13)

Isorhamnetin-3-O-rutinoside

120,700,749

33, 40

83***

13.39

595.16684

595.16638

-0.77

C27H32O15

MS2[595]:

271.0611(100), 151.0027(13)

Naringenin-O-sophoroside

1,534,819

48

84***

13.41

433.11292

433.11404

0.04

C21H22O10

MS2[433]:

271.0611(100), 300.0296(13), 151.0037(13), 61.9870(36)

Naringenin-O-hexoside

5,418,879

48

85***

13.42

575.11949

575.11853

-1.68

C30H24O12

MS2[575]:

125.0232(100), 61.9870(57), 165.0180(24), 285.0405(69), 289.0712(49)

Procyanidin A2

6,841,271

38

86***

13.53

595.16684

595.16760

1.27

C27H32O15

MS2[595]:

271.0612(100), 151.0025(11)

Naringenin-O-sophoroside

7,654,175

38

87***

13.62

433.11292

433.11407

0.11

C21H22O10

MS2[433]:

271.0611(100), 151.0025(13)

Naringenin-O-hexoside

24,716,850

38

88***

13.63

623.16175

623.16248

1.15

C28H32O16

MS2[623]:

299.0562(100), 315.0511(28), 314.0431(50), 300.0280(27)

Isorhamnetin-3-O-nehesperidine

35,207,484

33

89***

13.67

575.11949

575.11957

0.12

C30H24O12

MS2[575]:

285.0404(100), 125.0232(73), 245.0816(19), 289.0718(55)

Procyanidin A2

16,024,738

38

90***

13.81

575.11949

575.11902

-0.83

C30H24O12

MS2[575]:

285.0403(100), 125.0232(77), 163.0026(19), 245.0821(12), 289.0717(45), 407.0779(13)

Procyanidin A2

17,726,390

38

91***

13.85

263.12888

263.12888

-0.00

C15H20O4

MS2[263]:

204.1148(100), 219.1383(84), 201.1273(37), 175.0389(15), 79.9560(15)

Abscisic Acid isomer

2,711,748

33

92**

13.85

441.08271

441.08298

0.59

C22H18O10

MS2[441]:

271.0244(100), 179.0703(82), 289.0728(55), 223.0606(54), 245.0826(28)

Catechin gallic acid isomer

10,321,100

PubChem

93***

14.04

463.08710

463.08835

0.32

C21H20O12

MS2[463]:

301.0354(100), 178.9977(11), 151.0026(13)

Spiraeoside

24,892,952

36

94***

14.06

477.10384

477.10410

0.52

C22H22O12

MS2[477]:

314.0427(100), 315.0479(24)

Isorhamnetin-3-O-hexoside

13,416,680

33

95**

14.07

575.11949

575.11859

-1.58

C30H24O12

MS2[575]:

125.0232(100), 285.0408(65), 289.0708(37), 161.0234(34)

Type Procyanidin

9,017,412

PubChem

96 ***

14.18

477.10384

477.10422

0.77

C22H22O12

MS2[477]:

315.0508(100), 151.0025(20), 287.0561(13), 299.0196(20), 314.0431(69)

Isorhamnetin3-O-hexoside

19,349,699

33

97***

14.26

607.16684

607.16772

1.44

C28H32O15

MS2[607]:

299.0559(100), 284.0319(13)

Diosmin

4,748,587

33

98***

14.40

463.08710

463.08835

0.32

C21H20O12

MS2[463]:

301.0352(100), 151.0026(10), 178.9978(10)

Isoquercitrin isomers

24,892,952

33, 39

99***

14.44

433.11292

433.11508

2.44

C21H22O10

MS2[433]:

271.0611(100), 151.0037(13), 300.0296(13)

Naringenin-O-hexoside

1,482,594

36

100**

14.49

477.10384

477.10413

0.58

C22H22O12

MS2[477]:

314.0432(100), 299.0195(19), 315.0502(33)

Isorhamnetin3-O-hexoside

5,265,446

PubChem

101**

14.53

441.08271

441.08310

0.86

C22H18O10

MS2[441]:

271.0254(100), 233.0448(49), 289.0728(22)

Catechin gallic acid isomer

9,316,754

PubChem

102*

14.68

263.12888

263.12894

0.21

C15H20O4

MS2[263]:

219.1385(100), 204.1150(69), 201.1279(40), 151.0753(70), 152.0832(38)

Abscisic Acid

5,689,127

Standard Comparison

103*

14.76

287.05611

287.05646

1.21

C15H12O6

MS2[287]:

135.0438(100), 151.0024(17)

Eriodictyol

5,075,048

Standard Comparison

104***

15.04

201.11323

201.11267

-2.79

C10H18O4

MS2[201]:

139.1117(100), 183.1017(36)

3-Tert-Butyladipic acid

32,653,505

 

105*

15.41

301.03540

301.03537

0.08

C15H10O7

MS2[301]:

151.0025(100), 178.9976(55), 121.0283(18)

Quercetin

238,503,793

Standard Comparison

106***

15.87

301.07176

301.07184

0.26

C16H14O6

MS2[301]:

151.0026(100), 121.0283(18), 178.9977(60), 286.0481(43)

Hesperetin isomer

18,049,482

39

107*

15.89

271.06119

271.06125

0.19

C15H12O5

MS2[271]:

151.0026(100), 119.0490(38), 177.0184(14)

Naringenin

18,271,367

Standard

Comparison

108*

16.05

273.07684

273.07690

0.19

C15H14O5

MS2[273]:

258.0523(100), 167.0338(24)

Phloretin

3,721,302

Standard Comparison

109**

16.10

301.07176

301.07175

-0.03

C16H14O6

MS2[301]:

151.0026(100), 121.0282(13), 178.9976(39), 149.0596(12)

Hesperetin isomer

7,245,849

PubChem

110**

16.48

327.21769

327.21771

3.39

C18H32O5

MS2[327]:327.2177(100), 229.1441(27), 211.1333(45), 183.1382(22),171.1017(60)

9,12,13-Trihydroxy-10,15-octadecadienoic acid

43,861,527

HMDB、PubChem

111***

16.68

299.05611

299.05606

-0.17

C16H12O6

MS2[299]:

284.0328(100), 285.0361(11)

Hydroxygenkwanin

11,441,717

32, 33

112*

16.73

315.05102

315.05115

0.39

C16H12O7

MS2[315]:

300.0273(100), 301.0309(10)

Isorhamnetin

141,574,978

Standard

Comparison

113**

16.83

327.21769

327.21774

3.48

C18H32O5

MS2[327]:327.2177(100), 211.1331(13), 183.1381(60), 171.1016(13)

(10e,15z)-9,12,13-Trihydroxyoctadeca-10,15-dienoic acid

18,997,235

HMDB、PubChem

114**

17.05

329.23334

329.23322

2.94

C18H34O5

MS2[315]:329.2332(100), 229.1439(19), 211.1333(23), 183.1383(2), 171.1017(88)

9,12,13-Trihydroxyoctadec-10-enoic acid

702,422,726

HMDB、PubChem

115**

18.09

299.09249

299.09241

-0.29

C17H16O5

MS2[299]:

284.0688(100)

4’,7-Di-O-methylnaringenin

101,218,964

PubChem

116*

18.86

593.13006

593.13007

0.01

C30H26O13

MS2[593]:

121.0283(100), 209.0449(49)

Procyanidin

6,720,147

Standard Comparison

117**

19.15

313.23843

313.23846

3.50

C18H34O4

MS2[313]:313.2384(100), 183.1381(62), 129.0910(40), 99.0802(8)

12,13-Dihydroxy-9-octadecenoic acid

141,997,738

HMDB、PubChem

118**

19.23

721.36520

721.36566

2.146

C34H58O16

MS2[721]:471.3465(2),415.1453(7),397.1340(12),277.2171(100),161.0444(7),143.0339(7)

5-[5-[4-Hydroxy-5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-one

34,086,759

HMDB、PubChem

119**

19.26

313.23843

313.23837

3.30

C18H34O4

MS2[313]:313.2384(99), 295.2280(13), 201.1125(100), 171.1015(12)

12,13-DiHOME

3,936,014,912

HMDB、PubChem

120**

19.41

721.36520

721.36536

1.730

C34H58O16

MS2[721]:415.1461(8),397.1353(13),277.2171(100),161.0448(6),143.0338(7)

(4R,5R,6R)-5-[(2 S,4 S,5R,6R)-5-[(2 S,4R,5 S,6R)-4-hydroxy-5-[(2 S,4 S,5R,6R)-5-[(2 S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-one

217,995,706

HMDB、PubChem

121**

20.24

476.27826

476.27814

2.04

C23H44NO7P

MS2[476]:476.2791(2), 279.2327(100), 280.2360(10)

2-linoleoyl-sn-glycero-3-phosphoethanolamine

23,900,645

HMDB、PubChem

122**

20.45

476.27826

476.27805

1.85

C23H44NO7P

MS2[476]:476.2793(1), 279.2328(100), 280.2360(9), 196.0373(12)

1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoethanolamine

141,874,234

HMDB、PubChem

123**

20.84

571.28888

571.28876

1.69

C25H49O12P

MS2[571]:571.2880(6), 315.0483(21), 255.2327(100), 241.0115(47), 152.9948(78)

[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] hexadecanoate

602,629,899

HMDB、PubChem

124**

21.25

452.27826

452.27820

2.28

C21H44NO7P

MS2[452]:452.2756(1), 256.2361(9), 255.2361(100), 214.0483(2)

[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexadecanoate

281,586,779

HMDB、PubChem

125**

21.42

478.29391

478.29373

1.91

C23H46NO7P

MS2[478]:478.2912(2), 281.2483(100), 196.0371(10), 214.0481(2)

1-Oleoyl-2-hydroxy-sn-glycero-3-phosphatidylethanolamine

382,272,156

HMDB、PubChem

126**

27.29

435.25171

435.25143

1.86

C21H41O7P

MS2[435]:171.0053(3),152.9948(100)

1-Oleoyl Lysophosphatidic Acid

46,705,884

HMDB、PubChem

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